1-[3-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanone

Systemtic Name: 1-[3-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanone Openeye Name: 1-[3-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[3-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]phenyl]ethanone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H17N5O3/c1-11(22)12-5-4-6-13(9-12)19-15-14(21(23)24)16(18-10-17-15)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18,19)